EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
BT
 

isoamyl heptanoate
isopentyl heptanoate

Sponsors

Name: 3-methylbutyl heptanoate
CAS Number: 109-25-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 203-658-9
FDA UNII: BK698490B6
Nikkaji Web: J183.101A
CoE Number: 10719
XlogP3-AA: 4.30 (est)
Molecular Weight: 200.32168000
Formula: C12 H24 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
PubMed: Search
NCBI: Search
Flavis Number: 09.599 (Old)
DG SANTE Food Flavourings: 09.599 isopentyl heptanoate
 
Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity: 0.85800 to 0.86300 25.00 °C.
Pounds per Gallon - (est).: 7.139 to 7.181
Refractive Index: 1.41800 to 1.42200 @ 20.00 °C.
Boiling Point: 224.00 to 227.00 °C. @ 760.00 mm Hg
Boiling Point: 94.00 to 96.00 °C. @ 10.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure: 0.061000 mm/Hg @ 25.00 °C. (est)
Flash Point: 190.00 °F. TCC ( 87.78 °C. )
logP (o/w): 4.705 (est)
Soluble in:
 alcohol
 water, 4.064 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items: note
allyl heptanoate
amyl heptanoate
benzyl heptanoate
butyl heptanoate
isobutyl heptanoate
decyl heptanoate
ethyl 2-acetyl heptanoate
ethyl heptanoate
eugenyl heptanoate
furfuryl heptanoate
geranyl heptanoate
heptyl heptanoate
(Z)-3-hexen-1-yl heptanoate
hexyl heptanoate
methyl heptanoate
nonyl heptanoate
octyl heptanoate
phenethyl heptanoate
prenyl heptanoate
propyl heptanoate
 
Organoleptic Properties:
Odor Type: herbal
Odor Strength: medium
Substantivity: 16 hour(s) at 100.00 %
 fruity herbal grassy banana unripe banana fruity
Odor Description:
at 100.00 %.
fruity herbal grassy banana unripe fruit
Flavor Type: herbal
 herbal
Taste Description:
herbal
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
isoAmyl Heptanoate
ECSA Chemicals
isoAmyl Heptanoate
Company Profile
Grau Aromatics
iso-AMYL-HEPTANOATE
NI, Kosher
Inoue Perfumery
isoAMYL HEPTANOATE
Myrazine
iso-Amyl n-heptanoate
Odor: fruity herbal grassy banana unripe fruit
SRS Aromatics
isoAMYL HEPTANOATE
 
Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for isoamyl heptanoate usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.011 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 2300 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): --
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
 
Safety References:
European Food Safety Athority(efsa): Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
European Food Safety Authority (EFSA) reference(s):
Flavouring Group Evaluation 2, Revision 1 (FGE.02) : Branched- and straight-chain aliphatic saturated primary alcohols and related esters of primary alcohols and straight-chain carboxylic acids and one straight-chain aldehyde from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf
EPI System: View
EPA Substance Registry Services (TSCA): 109-25-1
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 66955
National Institute of Allergy and Infectious Diseases: Data
 3-methylbutyl heptanoate
Chemidplus: 0000109251
 
References:
 3-methylbutyl heptanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 109-25-1
Pubchem (cid): 66955
Pubchem (sid): 135025435
Pherobase: View
 
Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
HMDB (The Human Metabolome Database): Search
Export Tariff Code: 2915.90.0000
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
 
Potential Blenders and core components note
For Odor
animal
iso
butyl quinoline
FR
anisic
amyl furoate
FL/FR
caramellic
diethyl malate
FL/FR
ethereal
butyl acetate
FL/FR
cyclohexyl formate
FL/FR
ethyl 4-pentenoate
FL/FR
iso
propyl acetate
FL/FR
fatty
allyl octanoate
FL/FR
methyl (E)-2-hexenoate
FL/FR
(E)-2-
octenal
FL/FR
floral
iso
amyl angelate
FL/FR
alpha-
amyl cinnamaldehyde
FL/FR
benzyl acetone
FL/FR
butyl tiglate
FR
cassis cyclohexene
FR
dimethyl benzyl carbinyl butyrate
FL/FR
2,4-
dimethyl-3-cyclohexene-1-methanol
FR
geranyl tiglate
FL/FR
jasmin absolute egypt (from concrete)
FL/FR
linalyl butyrate
FL/FR
menthadienyl formate
FR
methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR
neryl formate
FL/FR
nonan-3-yl acetate
FL/FR
3-
nonanone
FL/FR
phenethyl hexanoate
FL/FR
iso
phytol
FL/FR
rose undecene
FR
violet methyl carbonate
FR
fruity
allyl heptanoate
FL/FR
allyl isovalerate
FL/FR
allyl salicylate
FR
iso
amyl acetate
FL/FR
amyl acetate
FL/FR
iso
amyl butyrate
FL/FR
amyl butyrate
FL/FR
amyl heptanoate
FL/FR
iso
amyl hexanoate
FL/FR
amyl isobutyrate
FL/FR
iso
amyl isobutyrate
FL/FR
iso
amyl propionate
FL/FR
para-
anisyl propionate
FL/FR
balsam specialty
FR
benzyl propionate
FL/FR
iso
butyl 2-butenoate
FL/FR
iso
butyl acetate
FL/FR
butyl isobutyrate
FL/FR
iso
butyl propionate
FL/FR
cyclohexyl isovalerate
FL/FR
cyclohexyl propionate
FL/FR
2-
ethyl butyl acetate
FL/FR
ethyl hexanoate
FL/FR
furfuryl acetate
FL/FR
(E)-2-
hexen-1-ol
FL/FR
(E)-3-
hexen-1-yl acetate
FL/FR
hexyl acetate
FL/FR
hexyl formate
FL/FR
para-
menth-1-ene-9-ol
FL/FR
methyl 4-methyl valerate
FL/FR
2-
methyl butyl acetate
FL/FR
2-
methyl butyl isovalerate
FL/FR
methyl butyrate
FL/FR
2-
methyl-2-pentenal
FL/FR
2-
pentanone
FL/FR
pineapple pentenoate
FL/FR
prenyl acetate
FL/FR
prenyl ethyl ether
FL/FR
iso
propyl octanoate
FL/FR
iso
propyl propionate
FL/FR
green
actinidia chinensis fruit extract
FL/FR
actinidia chinensis fruit water
FR
actinidia chinensis seed extract
CS
butyl 2-methyl butyrate
FL/FR
iso
butyl heptanoate
FL/FR
butyl heptanoate
FL/FR
iso
butyl methyl ketone
FL/FR
cognac heptanone
FL/FR
alpha-
decalactone
FL/FR
dicyclopentadiene propionate
FR
1-
heptanol
FL/FR
(Z)-3-
hepten-1-yl acetate
FL/FR
herbal cyclohexane
FR
hexanal (aldehyde C-6)
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(E)-2-
hexen-1-yl butyrate
FL/FR
(E)-2-
hexen-1-yl isovalerate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
(E)-2-
hexenal
FL/FR
hexyl butyrate
FL/FR
hexyl hexanoate
FL/FR
hexyl tiglate
FL/FR
magnolia flower oil CO2 extract
FL/FR
(Z)-5-
octen-1-yl propionate
FL/FR
propylene acetal
FL/FR
herbal
6-
acetoxydihydrotheaspirane
FL/FR
alpha-
amyl cinnamyl formate
FL/FR
anthemis nobilis flower oil roman
FL/FR
artemisia ludoviciana oil
FR
sweet
basil absolute
FL/FR
buchu mercaptan acetate
FL/FR
butyl levulinate
FL/FR
(+)-alpha-
campholenic aldehyde
FL/FR
chamomile propionate
FR
chamomile valerate
FR
cuminyl acetate
FL/FR
dimethyl benzyl carbinyl crotonate
FL/FR
dimethyl benzyl carbinyl formate
FL/FR
herbal heptane
FR
hop absolute
FL/FR
hop oil
FL/FR
linalyl formate
FL/FR
linalyl octanoate
FL/FR
1-para-
menthen-9-yl acetate
FL/FR
methyl hexyl ether
FL/FR
(1S,5R)-
myrtenyl acetate
FL/FR
myrtle oil
FL/FR
3-
octanon-1-ol
FL/FR
perillaldehyde
FL/FR
reseda absolute
FR
rue oil
FL/FR
rue oil cuba
FL/FR
tagete oil CO2 extract
FL/FR
tagete oil egypt
FL/FR
tagete oil rwanda
FL/FR
tagete oil turkey
FL/FR
tagete oil zambia
FL/FR
theaspirane
FL/FR
tricyclodecenyl isobutyrate
FR
tricyclodecenyl propionate
FR
tricyclodecyl acetate
FR
viridiflorol
FL/FR
orris
orris capronate
FL/FR
pine
dipentene terpene hydrocarbon byproducts
FR
spicy
iso
butyl angelate
FL/FR
(-)-
cubenol
FL/FR
iso
cyclogeraniol (IFF)
FR
waxy
ethyl octanoate
FL/FR
woody
2-
decalinyl acetate
FR
patchouli absolute
FR
For Flavor
No flavor group found for these
6-
acetoxydihydrotheaspirane
FL/FR
actinidia chinensis fruit juice
FL
iso
amyl angelate
FL/FR
alpha-
amyl cinnamyl formate
FL/FR
amyl furoate
FL/FR
amyl isobutyrate
FL/FR
para-
anisyl propionate
FL/FR
benzyl methyl tiglate
FL
butyl 2-methyl butyrate
FL/FR
iso
butyl heptanoate
FL/FR
cuminyl acetate
FL/FR
alpha-
decalactone
FL/FR
diethyl malate
FL/FR
diethyl maleate
FL
(±)-(cis+trans)-1,2-
dihydroperillaldehyde
FL
dimethyl benzyl carbinyl crotonate
FL/FR
dimethyl benzyl carbinyl formate
FL/FR
ethyl 4-pentenoate
FL/FR
(Z)-3-
hepten-1-yl acetate
FL/FR
2-
heptenoic acid
FL
linalyl formate
FL/FR
magnolia flower oil CO2 extract
FL/FR
methyl (E)-2-hexenoate
FL/FR
methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR
nonan-3-yl acetate
FL/FR
3-
octanon-1-ol
FL/FR
prenyl ethyl ether
FL/FR
propylene acetal
FL/FR
viridiflorol
FL/FR
althaea officinalis root tincture
FL
acidic
acidic
(E)-2-
hexenoic acid
FL
citrus
cognac heptanone
FL/FR
cooling
theaspirane
FL/FR
corn chip
2-
acetyl-2-thiazoline
FL
creamy
althaea officinalis root extract
FL
estery
furfuryl acetate
FL/FR
ethereal
butyl acetate
FL/FR
methyl hexyl ether
FL/FR
iso
propyl acetate
FL/FR
fatty
allyl octanoate
FL/FR
(E)-2-
octenal
FL/FR
floral
dimethyl benzyl carbinyl butyrate
FL/FR
geranyl tiglate
FL/FR
jasmin absolute egypt (from concrete)
FL/FR
linalyl butyrate
FL/FR
fruity
allyl heptanoate
FL/FR
allyl isovalerate
FL/FR
amyl acetate
FL/FR
iso
amyl acetate
FL/FR
amyl butyrate
FL/FR
amyl heptanoate
FL/FR
iso
amyl hexanoate
FL/FR
iso
amyl isobutyrate
FL/FR
iso
amyl propionate
FL/FR
benzyl acetone
FL/FR
benzyl propionate
FL/FR
buchu mercaptan acetate
FL/FR
iso
butyl acetate
FL/FR
butyl heptanoate
FL/FR
butyl isobutyrate
FL/FR
iso
butyl propionate
FL/FR
cyclohexyl isovalerate
FL/FR
cyclohexyl propionate
FL/FR
2-
ethyl butyl acetate
FL/FR
ethyl hexanoate
FL/FR
furfuryl propionate
FL
(E)-3-
hexen-1-yl acetate
FL/FR
hexyl acetate
FL/FR
hexyl hexanoate
FL/FR
kiwi distillates
FL
linalyl octanoate
FL/FR
1-para-
menthen-9-yl acetate
FL/FR
methyl 4-methyl valerate
FL/FR
2-
methyl butyl acetate
FL/FR
2-
methyl butyl isovalerate
FL/FR
2-
methyl-2-pentenal
FL/FR
neryl formate
FL/FR
2-
pentanone
FL/FR
pineapple pentenoate
FL/FR
prenyl acetate
FL/FR
iso
propyl octanoate
FL/FR
iso
propyl propionate
FL/FR
tagete oil CO2 extract
FL/FR
tagete oil rwanda
FL/FR
tagete oil turkey
FL/FR
tagete oil zambia
FL/FR
fusel
methyl butyrate
FL/FR
green
actinidia chinensis fruit extract
FL/FR
iso
butyl 2-butenoate
FL/FR
iso
butyl angelate
FL/FR
iso
butyl methyl ketone
FL/FR
(+)-alpha-
campholenic aldehyde
FL/FR
cyclohexyl formate
FL/FR
hexanal (aldehyde C-6)
FL/FR
(E)-2-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(E)-2-
hexen-1-yl butyrate
FL/FR
(E)-2-
hexen-1-yl isovalerate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(E)-2-
hexenal
FL/FR
hexyl butyrate
FL/FR
hexyl formate
FL/FR
hexyl tiglate
FL/FR
3-
nonanone
FL/FR
(Z)-5-
octen-1-yl propionate
FL/FR
herbal
anthemis nobilis flower oil roman
FL/FR
sweet
basil absolute
FL/FR
butyl levulinate
FL/FR
hop absolute
FL/FR
hop oil
FL/FR
para-
menth-1-ene-9-ol
FL/FR
rue oil
FL/FR
rue oil cuba
FL/FR
tagete oil egypt
FL/FR
oily
iso
phytol
FL/FR
orris
orris capronate
FL/FR
solvent
1-
heptanol
FL/FR
spicy
(-)-
cubenol
FL/FR
myrtle oil
FL/FR
perillaldehyde
FL/FR
tropical
alpha-
amyl cinnamaldehyde
FL/FR
waxy
iso
amyl butyrate
FL/FR
ethyl octanoate
FL/FR
phenethyl hexanoate
FL/FR
woody
(1S,5R)-
myrtenyl acetate
FL/FR
 
Potential Uses:
 appleFR
 apricotFR
 bananaFR
 bouquetFR
 brandyFL
 gooseberryFR
 grapeFR
 grass sweetFR
 herbalFR
 peachFR
 pineappleFR
 plum greengage plum 
 plum mirabelleFR
 quinceFR
 saffronFR
 strawberryFR
 wineFR
 
Occurrence (nature, food, other): note
 banana fruit
Search Trop Picture
 beer
Search PMC Picture
 brandy
Search PMC Picture
 buckthorn sea buckthorn
Search Trop Picture
 cider
Search PMC Picture
 orange california orange rind
Search PMC Picture
 rum
Search PMC Picture
 strawberry wild strawberry fruit
Search Trop Picture
 teucrium flavum
Search Trop Picture
 whiskey
Search Picture
 wine
Search Picture
 
Synonyms:
iso-amyl N-heptanoate
 heptanoic acid 3-methyl butyl ester
 heptanoic acid 3-methylbutyl ester
 heptanoic acid, 3-methylbutyl ester
3-methyl butyl heptanoate
3-methylbutyl heptanoate
isopentyl heptanoate
 
 
Notes:
None found
 
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